CID 6447718

98834-32-3

Structural Information

Molecular Formula

C₂₃H₂₈N₂O

SMILES

CC(C)(C)NCCCOC1=CC=CC=C1/C=C/C2=C3C=CNC3=CC=C2

InChI

InChI=1S/C23H28N2O/c1-23(2,3)25-15-7-17-26-22-11-5-4-8-19(22)13-12-18-9-6-10-21-20(18)14-16-24-21/h4-6,8-14,16,24-25H,7,15,17H2,1-3H3/b13-12+

InChIKey

OFPAFOVEGCSKND-OUKQBFOZSA-N

Compound name

N-[3-[2-[(E)-2-(1H-indol-4-yl)ethenyl]phenoxy]propyl]-2-methylpropan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 348.22015 Da
Monoisotopic Mass: 5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	349.227426	188.7
[M+Na]+	371.209368	194.9
[M-H]-	347.212874	193.3
[M+NH4]+	366.253973	202.6
[M+K]+	387.183308	187.6
[M+H-H2O]+	331.217410	180.1
[M+HCOO]-	393.218351	209.0
[M+CH3COO]-	407.234001	213.7
[M+Na-2H]-	369.194816	192.7
[M]+	348.21960142	190.6
[M]-	348.22069858	190.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe